REMARK  Name = BDB012512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.266  -0.619   0.100  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.196   0.299   0.624  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        1.006  -0.435   0.172  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        0.718  -1.561  -0.533  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        1.922  -2.151  -0.918  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.939  -1.334  -0.425  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        2.353  -0.281   0.270  0.00  0.00    -0.345 N 
ATOM      8  C   LIG    1        3.026   0.776   0.991  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1       -0.707  -1.722  -0.618  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -1.263  -2.648  -1.185  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1       -4.783   1.948   2.508  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -4.399   0.857   1.542  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -5.376   0.044   0.887  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -4.933  -0.943   0.029  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1       -6.078  -1.554  -0.436  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -7.131  -0.973   0.104  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -6.089  -2.683  -1.392  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1       -3.591  -1.184  -0.244  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1       -2.631  -0.437   0.340  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1       -6.690   0.030   0.935  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1       -3.094   0.608   1.271  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.253   1.709   0.055  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.465   1.946  -1.315  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.498   3.249  -1.818  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.314   4.328  -0.958  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.351   5.933  -1.576  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.095   4.116   0.401  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.062   2.813   0.905  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1        4.356  -1.435  -0.544  0.00  0.00    -0.023 C 
ATOM     30  C   LIG    1        5.219  -0.508  -1.373  0.00  0.00    +0.065 C 
ATOM     31  C   LIG    1        6.689  -0.612  -0.974  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        7.092  -1.980  -0.958  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1        6.425  -2.721   0.066  0.00  0.00    +0.187 C 
ATOM     34  C   LIG    1        4.949  -2.450   0.115  0.00  0.00    +0.006 C 
ENDBRANCH   6  29
TORSDOF 3